4-tert-butyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexene-1-carboxamide

C20H36N2O — CID 139236146

IUPAC4-tert-butyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexene-1-carboxamide
SMILESCC1(C)CC(NC(=O)C2=CCC(C(C)(C)C)CC2)CC(C)(C)N1
InChIInChI=1S/C20H36N2O/c1-18(2,3)15-10-8-14(9-11-15)17(23)21-16-12-19(4,5)22-20(6,7)13-16/h8,15-16,22H,9-13H2,1-7H3,(H,21,23)
InChIKeyURKLZRLYXCOILN-UHFFFAOYSA-N
MW320.52 g/mol
LogP4.18
Rot. Bonds2

About 4-tert-butyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexene-1-carboxamide

4-tert-butyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexene-1-carboxamide (PubChem CID 139236146) has the molecular formula C20H36N2O and a molecular weight of 320.52 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexene-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexene-1-carboxamide
PubChem CID139236146
Molecular FormulaC20H36N2O
Molecular Weight320.52 g/mol
Exact Mass320.28
IUPAC Name4-tert-butyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexene-1-carboxamide
SMILESCC1(C)CC(NC(=O)C2=CCC(C(C)(C)C)CC2)CC(C)(C)N1
InChIInChI=1S/C20H36N2O/c1-18(2,3)15-10-8-14(9-11-15)17(23)21-16-12-19(4,5)22-20(6,7)13-16/h8,15-16,22H,9-13H2,1-7H3,(H,21,23)
InChIKeyURKLZRLYXCOILN-UHFFFAOYSA-N
XLogP4.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexene-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexene-1-carboxamide (CID 139236146) is 4-tert-butyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexene-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexene-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexene-1-carboxamide is CC1(C)CC(NC(=O)C2=CCC(C(C)(C)C)CC2)CC(C)(C)N1.
What is the InChIKey of 4-tert-butyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexene-1-carboxamide?
The InChIKey is URKLZRLYXCOILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O/c1-18(2,3)15-10-8-14(9-11-15)17(23)21-16-12-19(4,5)22-20(6,7)13-16/h8,15-16,22H,9-13H2,1-7H3,(H,21,23).
What are the key properties of 4-tert-butyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexene-1-carboxamide?
4-tert-butyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexene-1-carboxamide has a molecular weight of 320.52 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexene-1-carboxamide is sourced from PubChem (CID 139236146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).